3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide

C19H19F3N2O3S — CID 60603031

IUPAC3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H19F3N2O3S/c1-2-11-24(14-19(20,21)22)18(25)16-9-6-10-17(12-16)28(26,27)23-13-15-7-4-3-5-8-15/h2-10,12,23H,1,11,13-14H2
InChIKeyXLYGUHGABUROFE-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.36
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide

3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60603031) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60603031
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H19F3N2O3S/c1-2-11-24(14-19(20,21)22)18(25)16-9-6-10-17(12-16)28(26,27)23-13-15-7-4-3-5-8-15/h2-10,12,23H,1,11,13-14H2
InChIKeyXLYGUHGABUROFE-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545974
3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
CID 78784574
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60603031) is 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide is C=CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XLYGUHGABUROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-2-11-24(14-19(20,21)22)18(25)16-9-6-10-17(12-16)28(26,27)23-13-15-7-4-3-5-8-15/h2-10,12,23H,1,11,13-14H2.
What are the key properties of 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 412.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60603031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).